[1-(4-chlorophenyl)pyrazol-4-yl]-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [1-(4-chlorophenyl)pyrazol-4-yl]-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: [1-(4-chlorophenyl)pyrazol-4-yl]-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [1-(4-chlorophenyl)-4-pyrazolyl]-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: [1-(4-chlorophenyl)pyrazol-4-yl]-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [1-(4-chlorophenyl)pyrazol-4-yl]-[4-(2-nitrophenyl)sulfonylpiperazino]methanone Formula: C20H18ClN5O5S MolecularWeight: 475.90542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CN(N=C2)C3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)C2=CN(N=C2)C3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C20H18ClN5O5S/c21-16-5-7-17(8-6-16)25-14-15(13-22-25)20(27)23-9-11-24(12-10-23)32(30,31)19-4-2-1-3-18(19)26(28)29/h1-8,13-14H,9-12H2